SCHEMBL9736238

SCHEMBL9736238

COC(=O)[C@@H](CC(C)C)N1CC[C@@]2(CCCN2C(=O)O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
NTSR1 P30989 3/20 0.35
HSD11B1 P28845 1/20 0.32
ADAM10 O14672 3/20 0.32
MMP1 P03956 3/20 0.32
MMP2 P08253 3/20 0.32
MMP3 P08254 3/20 0.32
MMP7 P09237 3/20 0.32
MMP9 P14780 3/20 0.32
MMP8 P22894 3/20 0.32
MMP13 P45452 3/20 0.32
MMP14 P50281 3/20 0.32
ADAM17 P78536 3/20 0.32
POLB P06746 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9735761 1.00 GRIN2B (0.35) GRIN2BGRIN2CNTSR1HSD11B1ADAM10
SCHEMBL9735100 1.00 GRIN2B (0.35) GRIN2BGRIN2CNTSR1HSD11B1ADAM10
SCHEMBL9736221 1.00 GRIN2B (0.35) GRIN2BGRIN2CNTSR1HSD11B1ADAM10
SCHEMBL9734966 0.88 NTSR1 (0.37) GRIN2BGRIN2CNTSR1HSD11B1ADAM10
SCHEMBL9734738 0.84
SCHEMBL9736075 0.84
SCHEMBL9735131 0.81 ACE2 (0.38)
SCHEMBL9735134 0.81 ACE2 (0.38)
SCHEMBL14219500 0.80 NTSR1 (0.36) GRIN2BGRIN2CNTSR1HSD11B1SLC6A2
SCHEMBL3040420 0.79 NTSR1 (0.40) GRIN2BGRIN2CNTSR1HSD11B1ADAM10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166136-A SPIROLACTAM CONTAINING PEPTIDES GLAXO GROUP LIMITED (GB) 1992-11-24 US disclosed
EP-0360390-A1 Spirolactam derivatives GLAXO GROUP LIMITED (GB) 1990-03-28 EP disclosed